General Information of the Compound
| Compound ID |
CP0092903
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| Compound Name |
5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(1-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide
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| Structure |
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| Formula |
C22H25ClN6O
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| Molecular Weight |
424.936
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| Canonical SMILES |
CN1CCC(CC1)NC(=O)c1cc([nH]c1-c1cc(Cl)ccc1C)-c1ccnc(N)n1
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| InChI |
InChI=1S/C22H25ClN6O/c1-13-3-4-14(23)11-16(13)20-17(21(30)26-15-6-9-29(2)10-7-15)12-19(27-20)18-5-8-25-22(24)28-18/h3-5,8,11-12,15,27H,6-7,9-10H2,1-2H3,(H,26,30)(H2,24,25,28)
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| InChIKey |
WNZGPMKWLNIIEW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound